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Wyniki wyszukiwania dla: structure
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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Ab initio studies of the structure, physicochemical properties and behavior of lead chlorides and chloroplumbate anions in gaseous and aqueous phases
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Ab initio electronic structure of HCN− and HNC− dipole-bound anions and a description of electron loss upon tautomerization
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Theoretical Studies on the Structure, Stability, Ability To Undergo Internal Transformations, and Tautomerization, as Well as Reactivity, of H2PPH2 and HPPH3 Molecules
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The Influence of EP/AW Addition in the MQL Method on the Parameters of Surface Geometrical Structure in the Process of Turning 316L Steel
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Single-phase product obtained via crude glycerine depolymerisation of polyurethane elastomer: structure characterisation and rheological behaviour
PublikacjaPolyurethane recycling is a topic of growing interest due to the increasing amount of polyurethanewaste. The main purpose of polyurethane feedstock recycling is to recover the starting polyol, a valuable material. In thiswork, amethod of polyurethane thermo-chemical recycling, glycerolysisbymeansof crude glycerine, is proposed. Themaineffort is focusedonthe employment of crude glycerine without purification from biodiesel production...
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublikacjaThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Modelling the impact of the agricultural holdings and land-use structure on the quality of inland and coastal waters with an innovative and interdisciplinary toolkit
PublikacjaThe changes taking place in the marine coastal zones are extremely important, as about 40% of the human population currently lives in the coastal areas (within 100 kilometres of the coastline) increasing anthropogenic pressure on the marine ecosystems. Agriculture is a significant source of nutrients to the marine environment that increase hypoxia, eutrophication and may pose a threat to the services provided by ecosystems. In...
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How Do Ionic Liquids Affect the Surface Structure of Titania Photocatalyst? An Electron-Trap Distribution-Analysis Study
PublikacjaTitanium(IV) oxide, titania, photocatalyst particles were prepared from titanium alkoxide in the presence of several kinds of ionic liquids, and it was clarified that a group of samples exhibited photocatalytic activity for phenol degradation under the irradiation of light of wavelength >400 nm higher than those of the other group of samples. Although the conventional structural analytical results could not be related to the activity,...
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Temperature, velocity and mean turbulence structure in strongly heated internal gas flows. Comparison of numerical predictions with data
PublikacjaW pracy przedstawiono symulacje numeryczne przy użyciu szeregu modeli turbulencji celem analizy silnie ogrzewanego przepływu powietrza w pionowych rurach. Obliczenia porównano z danymi eksperymentalnymi. Analizowano modyfikacje pola prędkości, temperatury i turbulencji. W rozpatrywanych warunkach odnotowano silną wrażliwość obliczeń na silnie zmieniające się pole temperatury. Stwierdzono, że analizowane przypadki najlepiej odzwierciedla...
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Structure changes in (Bi-Pb)-Sr-Ca-Cu-O glass ceramics during the first minutes of crystallization.
Publikacja(Bi0.8Pb0.2)4Sr3Ca3Cu4Ox szkło otrzymano standardową metodą chłodzenia stopionych substratów. Częściowo skrystalizowane próbki otrzymano poprzez wygrzewanie szkła w temperaturze między 700stC i 870stC. Obecność faz krystalicznych badano metodą dyfrakcji rentgenowskiej w temperaturze pokojowej oraz w temperaturze krystalizacji. Stwierdzono obecność faz nadprzewodzących (Bi0.8Pb0.2)2Sr2CuOx, (Bi0.8Pb0.2)2Sr2CaCu2Ox i (Bi0.8Pb0.2)2Sr2Ca2Cu3Ox...
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublikacjaThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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Comparative 3D DEM simulations of sand–structure interfaces with similarly shaped clumps versus spheres with contact moments.
PublikacjaThree-dimensional simulations of a monotonic quasi-static interface behaviour between initially dense cohesionless sand and a rigid wall of different roughness during tests in a parallelly guided direct shear test under constant normal stress are presented. Numerical modelling was carried out by the discrete element method (DEM) using clumps in the form of convex non-symmetric irregularly shaped grains. The clumps had an aspect...
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Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
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Synthesis, structure and properties of poly(ester-urethane)s obtained using bio-based and petrochemical1,3-propanediol and 1,4-butanediol
PublikacjaIn this paper, the poly(ester-urethane)s obtained using petrochemical and bio-based chain extenders were prepared and characterized. The influence of glycols’ origin on the chemical structure, mechanical and thermal properties of the prepared polyurethanes was studied. The materials were synthesised by prepolymer method. The first step involved the reaction of α,ω-dihydroxy(ethylene-butylene adipate (POLIOS 55/20) with 4,4’-diphenylmethane...
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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublikacjaThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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The influence of chemical composition of amide block on the thermal properties and structure of terpoly(ester-b-ether-b-amide) elastomers
PublikacjaMultiblock terpolymers-(PBT-b-PTMO-b-PA12,10)(n)- constituting the polymer systems, in which one of the three blocks (PBT) does not dissolve in PA12,10 block (hard phase) and, depending on its molecular weight is slightly soluble in PTMO block (soft phase), have been obtained. The DSC method was applied to investigate the thermal properties of these polymers and it was found that PBT block acts as an element that produces stiffness...
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Relationship between Chemical Structure and Biological Activity Evaluated In Vitro for Six Anthocyanidins Most Commonly Occurring in Edible Plants
PublikacjaNumerous studies have provided evidence that diets rich in anthocyanins show a broad spectrum of health benefits. Anthocyanins in nature are usually found in the form of glycosides. Their aglycone forms are called anthocyanidins. The chemical structure of anthocyanins is based on the flavylium cation, but they differ in the position and number of substituents. However, the bioactives and foods that contain them are frequently treated...
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublikacjaThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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Sustainable synthesis of cyclic carbonates from bio‐based polyether polyol: the structure characterization, rheological behaviour and thermal properties
PublikacjaThe cycloaddition of CO2 to epoxides represents a green efficient method to form bis(cyclic carbonate)s. The main purpose of the work reported in this paper was to examine the effect of the gas flow rate (20, 40, 60 and 100 mL min–1) during carbonation on the conversion yield, chemical structure, rheological behaviour and thermal properties of the prepared compounds. A series of new bis(cyclic carbonate)s was obtained from bio‐based...
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The effect of hybridization of fire retarded epoxy/flax-cotton fiber laminates by expanded vermiculite: Structure-property relationship study
PublikacjaThe study describes the hybridization of epoxy/flax-cotton (EP/FF) composites containing ammonium polyphosphate (APP) with micrometric expanded vermiculite (VMT) (1–10 wt%). The efficiency of hybridization of flame retarded epoxy/flax-cotton composites was assessed by performing static tensile and flexural strength evaluation, supplemented by impact strength measurements of the composites. Moreover, thermal and thermomechanical...
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Structure of solvation water around the active and inactive regions of a type III antifreeze protein and its mutants of lowered activity
PublikacjaWater molecules from the solvation shell of the ice-binding surface are considered important for the antifreeze proteins to perform their function properly. Herein, we discuss the problem whether the extent of changes of the mean properties of solvation water can be connected with the antifreeze activity of the protein. To this aim, the structure of solvation water of a type III antifreeze protein from Macrozoarces americanus (eel...
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The effect of preparation route on structure and photocatalytic properties of bimetallic nanoparticles (Au/Pd, and Au/Pt) deposited at TiO2 surface
PublikacjaNoble metal nanoparticles have often been used to enhance the photocatalytic activity of TiO2 and to extend the absorption wavelength from the ultraviolet to visible region. Bimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. In this work we show the effect kind and...
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The Influence of Loop Heat Pipe Evaporator Porous Structure Parameters and Charge on Its Effectiveness for Ethanol and Water as Working Fluids
PublikacjaAbstract: This paper presents the results of experiments carried out on a specially designed experimental rig designed for the study of capillary pressure generated in the Loop Heat Pipe (LHP) evaporator. The commercially available porous structure made of sintered stainless steel constitutes the wick. Three different geometries of the porous wicks were tested, featuring the pore radius of 1, 3 and 7 um. Ethanol and water as two...
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Synthesis and structure determination of 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ols
Publikacja3-Amino-1,1-dioxopyrido[4,3-e]-1,4,2-dithiazine has been synthesized and applied to the synthesis of 3-amino-2-(4-thioxo-1,4-dihydropyridin-3-ylsulfonyl)guanidine. The reaction of the aminoguanidine with the appropriate 1,2-diarylethane-1,2-diones afforded 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ol derivatives. The structure of these compounds, which represent a novel heterocyclic ring system, was confirmed...
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Enhancing seismic performance of rigid and semi-rigid connections equipped with SMA bolts incorporating nonlinear soil-structure interaction
PublikacjaNowadays, using smart connections can improve the performance of buildings with some recentering features that are from the superelastic behavior of Shape Memory Alloys (SMAs). It seems that there is different rigidity between the designed connection and the real one in Steel Moment-Resisting Frames (SMRFs), which can be considered as a problematic issue due to the importance of connections in seismic performance assessment. This...
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MODELLING OF CONCRETE FRACTURE AT AGGREGATE LEVEL USING DEM BASED ON X-RAY mu CT IMAGES OF INTERNAL STRUCTURE
PublikacjaThe paper describes two-dimensional meso-scale numerical results of fracture in notched concrete beams under quasi-static three-point bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones (ITZs) and air voids. As a numerical approach, the discrete element method (DEM) was used. The concrete micro-structure in calculations was directly...
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Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublikacjaA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
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Structure and electrical properties of Y, Fe-based perovskite mixed conducting composites fabricated by a modified polymer precursor method
PublikacjaIn this work, samples of Y0.07Sr0.93Ti1-xFexO3-d with 20, 40, 60 and 80 mol% of iron amount were prepared by a low-temperature polymer precursor method. The SEM-EDS analysis proved that analyzed Y0.07Sr0.93Ti1-xFexO3-d samples were composites of two Ti- and Fe-rich perovskite samples. This kind of composite consists of two phases in which one has a good ionic and the other electronic conductivity, which makes such a composite a...
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Chemical Structure and Thermal Properties versus Accelerated Aging of Bio-Based Poly(ether-urethanes) with Modified Hard Segments
PublikacjaAging of polymers is a natural process that occurs during their usage and storage. Predicting the lifetime of polymers is a crucial aspect that should be considered at the design stage. In this paper, a series of bio-based thermoplastic poly(ether-urethane) elastomers (bio-TPUs) with modified hard segments were synthesized and investigated to understand the structural and property changes triggered by accelerated aging. The bio-TPUs...
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Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublikacjaThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
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Kriging-assisted hybrid reliability design and optimization of offshore wind turbine support structure based on a portfolio allocation strategy
PublikacjaIn recent years, offshore wind power generation technology has developed rapidly around the world, making important contributions to the further development of renewable energy. When designing an Offshore Wind Turbine (OWT) system, the uncertainties in parameters and different types of constraints need to be considered to find the optimal design of these systems. Therefore, the Reliability-Based Design Optimization (RBDO) method...
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Transport of Particles in Intestinal Mucus under Simulated Infant and Adult Physiological Conditions: Impact of Mucus Structure and Extracellular DNA
PublikacjaThe final boundary between digested food and the cells that take up nutrients in the small intestine is a protective layer of mucus. In this work, the microstructural organization and permeability of the intestinal mucus have been determined under conditions simulating those of infant and adult human small intestines. As a model, we used the mucus from the proximal (jejunal) small intestines of piglets and adult pigs. Confocal...
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Effect of hybrid modification by ceramic layer formation in MAO process and laser remelting on the structure of titanium bio-alloy Ti13Nb13Zr
PublikacjaTo improve the biological properties of titanium alloy Ti13Nb13Zr, hybrid modifications involving micro-arc oxidation (MAO) and Nd: YAG laser remelting were carried out in two combinations. The first consisted of laser modification before the production of the ceramic layer by the micro-arc oxidation process, and the second combination involved Nd: YAG laser modification after the MAO process. The creation of developed surface...
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Investigating the Impact of Curing System on Structure-Property Relationship of Natural Rubber Modified with Brewery By-Product and Ground Tire Rubber
PublikacjaThe application of wastes as a filler/reinforcement phase in polymers is a new strategy to modify the performance properties and reduce the price of biocomposites. The use of these fillers, coming from agricultural waste (cellulose/lignocellulose-based fillers) and waste rubbers, constitutes a method for the management of post-consumer waste. In this paper, highly-filled biocomposites based on natural rubber (NR) and ground tire...
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Structure and function of the Ts2631 endolysin of Thermus scotoductus phage vB_Tsc2631 with unique N-terminal extension used for peptidoglycan binding
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The synthesis, x-ray structure and metal cation complexation properties of colored crown with two heterocyclic residues as a part of macrocycle
PublikacjaZsyntezowano nowy eter koronowy zawierający ugrupowanie azowe, resztę pirolu i pirydyny w pierścieniu makrocyklicznym. Badano zdolność kompleksowania kationów metali w acetonitrylu oraz mieszaninę acetonitryl-woda. Do pomiarów wykorzystano spektrofotometrię UV-Vis. Ustalono strukturę krystalograficzną otrzymanego związku.
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Investigating the Impact of Curing System on Structure-Property Relationship of Natural Rubber Modified with Brewery By-Product and Ground Tire Rubber
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X-ray absorption fine structure and x-ray diffraction studies of crystallographic grains in nanocrystalline FePd:Cu thin films
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Potent antidiuretic agonists, deamino-vasopressin and desmopressin, and theirinversoanalogs: NMR structure and interactions with micellar and liposomic models of cell membrane
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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
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Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
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Copper(I) π-coordination compounds with allyl derivatives of disubstituted pseudothiohydantoin: synthesis, structure investigation and nonlinear optical features
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Quantitative structure—retention relationship modeling of the retention behavior of selected antipsychotic drugs in normal-phase thin-layer chromatography
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Fingerprinting, structure, and genetic relationships among selected accessions of blue honeysuckle (Lonicera caerulea L.) from European collections
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Clozapine influences cytoskeleton structure and calcium homeostasis in rat cerebral cortex and has a different proteomic profile than risperidone
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Temporal fine structure of all-normal dispersion fiber supercontinuum pulses caused by non-ideal pump pulse shapes
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C
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